이름: 17,17-bis(ethylendioxy)-6α-ethynylandrostane
SMILES:
C#C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC24OCCOC23OCCO4)[C@@]2(C)CCCCC12Molecular Processing
Molecular formula
C25H36O4
Molecular weight
400.56
Exact mass
400.2614
XLogP
4.37
TPSA
36.92
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
29
Rings
6
Aromatic rings
0
Saturated rings
6
Aliphatic rings
6
Stereo centers
7
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.92
Molar refractivity
108.7
Supplementary Information
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